CID 3017687

66545-42-4

Structural Information

Molecular Formula
C20H20N6O2
SMILES
CCCCN(CCC#N)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])C#N
InChI
InChI=1S/C20H20N6O2/c1-2-3-12-25(13-4-11-21)18-7-5-17(6-8-18)23-24-20-10-9-19(26(27)28)14-16(20)15-22/h5-10,14H,2-4,12-13H2,1H3
InChIKey
OWNXXHQPYXAOHS-UHFFFAOYSA-N
Compound name
2-[[4-[butyl(2-cyanoethyl)amino]phenyl]diazenyl]-5-nitrobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.16476 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.17204 200.6
[M+Na]+ 399.15398 206.7
[M-H]- 375.15748 205.6
[M+NH4]+ 394.19858 207.3
[M+K]+ 415.12792 199.9
[M+H-H2O]+ 359.16202 184.7
[M+HCOO]- 421.16296 215.7
[M+CH3COO]- 435.17861 244.6
[M+Na-2H]- 397.13943 200.4
[M]+ 376.16421 193.0
[M]- 376.16531 193.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.